4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H25N3O2 — CID 77061854

IUPAC4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN1CCOCC1(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-11(2,10(13)14-16)5-6-15-7-8-17-9-12(15,3)4/h16H,5-9H2,1-4H3,(H2,13,14)
InChIKeyFYLAALCUPASCNH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds4

About 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77061854) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77061854
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN1CCOCC1(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-11(2,10(13)14-16)5-6-15-7-8-17-9-12(15,3)4/h16H,5-9H2,1-4H3,(H2,13,14)
InChIKeyFYLAALCUPASCNH-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063786
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
CID 106710735
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107455407
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 77062967
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424
3,3-dimethyl-4-(3-piperidin-4-ylpropyl)morpholine
CID 62212366
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
CID 66472303

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77061854) is 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCN1CCOCC1(C)C)C(N)=NO.
What is the InChIKey of 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is FYLAALCUPASCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2,10(13)14-16)5-6-15-7-8-17-9-12(15,3)4/h16H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).